3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one

C19H16F3NO3 — CID 166439802

IUPAC3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C(Cc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)16-9-5-4-8-14(16)12-15(13-6-2-1-3-7-13)17(24)23-10-11-26-18(23)25/h1-9,15H,10-12H2
InChIKeyOAGQXDXLZOOHRH-UHFFFAOYSA-N
MW363.33 g/mol
LogP4.01
Rot. Bonds4

About 3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one

3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 166439802) has the molecular formula C19H16F3NO3 and a molecular weight of 363.33 g/mol. Its IUPAC name is 3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one
PubChem CID166439802
Molecular FormulaC19H16F3NO3
Molecular Weight363.33 g/mol
Exact Mass363.11
IUPAC Name3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C(Cc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)16-9-5-4-8-14(16)12-15(13-6-2-1-3-7-13)17(24)23-10-11-26-18(23)25/h1-9,15H,10-12H2
InChIKeyOAGQXDXLZOOHRH-UHFFFAOYSA-N
XLogP4.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
2-(2,6-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119099081
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
3-[6-(3-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141223
3-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
2-(2-Fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119106334
2-(2,3-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119106335
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
3-[6-[4-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145970283
3-[6-(6-Fluoronaphthalen-2-yl)hexanoyl]-1,3-oxazolidin-2-one
CID 132155638
3-(6-Naphthalen-2-ylhexanoyl)-1,3-oxazolidin-2-one
CID 132141179

Frequently Asked Questions

What is the IUPAC name of 3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one (CID 166439802) is 3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)C(Cc1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is OAGQXDXLZOOHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c20-19(21,22)16-9-5-4-8-14(16)12-15(13-6-2-1-3-7-13)17(24)23-10-11-26-18(23)25/h1-9,15H,10-12H2.
What are the key properties of 3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one?
3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 363.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-phenyl-3-[2-(trifluoromethyl)phenyl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166439802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).